(3R)-3-(2-fluoroethylamino)-2-methylbutanenitrile

C7H13FN2 — CID 153103547

IUPAC(3R)-3-(2-fluoroethylamino)-2-methylbutanenitrile
SMILESCC(C#N)[C@@H](C)NCCF
InChIInChI=1S/C7H13FN2/c1-6(5-9)7(2)10-4-3-8/h6-7,10H,3-4H2,1-2H3/t6?,7-/m1/s1
InChIKeyVRNRPXTVKOIXOS-COBSHVIPSA-N
MW144.19 g/mol
LogP1.09
Rot. Bonds4

About (3R)-3-(2-fluoroethylamino)-2-methylbutanenitrile

(3R)-3-(2-fluoroethylamino)-2-methylbutanenitrile (PubChem CID 153103547) has the molecular formula C7H13FN2 and a molecular weight of 144.19 g/mol. Its IUPAC name is (3R)-3-(2-fluoroethylamino)-2-methylbutanenitrile.

Molecular Properties

Compound Name(3R)-3-(2-fluoroethylamino)-2-methylbutanenitrile
PubChem CID153103547
Molecular FormulaC7H13FN2
Molecular Weight144.19 g/mol
Exact Mass144.11
IUPAC Name(3R)-3-(2-fluoroethylamino)-2-methylbutanenitrile
SMILESCC(C#N)[C@@H](C)NCCF
InChIInChI=1S/C7H13FN2/c1-6(5-9)7(2)10-4-3-8/h6-7,10H,3-4H2,1-2H3/t6?,7-/m1/s1
InChIKeyVRNRPXTVKOIXOS-COBSHVIPSA-N
XLogP1.09
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.19
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-(2-fluoroethylamino)-2-methylbutanenitrile?
The IUPAC name of (3R)-3-(2-fluoroethylamino)-2-methylbutanenitrile (CID 153103547) is (3R)-3-(2-fluoroethylamino)-2-methylbutanenitrile.
What is the SMILES notation for (3R)-3-(2-fluoroethylamino)-2-methylbutanenitrile?
The canonical SMILES for (3R)-3-(2-fluoroethylamino)-2-methylbutanenitrile is CC(C#N)[C@@H](C)NCCF.
What is the InChIKey of (3R)-3-(2-fluoroethylamino)-2-methylbutanenitrile?
The InChIKey is VRNRPXTVKOIXOS-COBSHVIPSA-N. The full InChI is InChI=1S/C7H13FN2/c1-6(5-9)7(2)10-4-3-8/h6-7,10H,3-4H2,1-2H3/t6?,7-/m1/s1.
What are the key properties of (3R)-3-(2-fluoroethylamino)-2-methylbutanenitrile?
(3R)-3-(2-fluoroethylamino)-2-methylbutanenitrile has a molecular weight of 144.19 g/mol, XLogP of 1.09, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(2-fluoroethylamino)-2-methylbutanenitrile is sourced from PubChem (CID 153103547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).